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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XSQX | 4-aminocyclophosphamide prodrug |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00551 |
| Smiles | |
| Inchi Key | InChIKey=CXNMYDOAJPBBCO-MSEJLTFDSA-N |
| Molecular weight | 765.301 |
| Molecular formula | C41H43N5O10 |
| Chemical name | Peptide information |
| Sequence (one letter) | XSQX |
| Length | 4 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 1486479-02-0 |
| Other information | |
|---|---|
| Application | Anticancer therapy, prostate (prodrug)) |
| Additional function | Selective activation by prostate-specific antigen (PSA) |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 4-aminocyclophosphamide prodrug |
| Small molecule CAS | 1486479-12-2 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 5.88811 |
| Rotatable bonds | 20 |
| H bond donor | 4 |
| H bond acceptor | 8 |
| Polar surface area (PSA) | 220.97000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Peptide conjugates of 4-aminocyclophosphamide as prodrugs of phosphoramide mustard for selective activation by prostate-specific antigen (PSA) | 2013 | Jiang, Yongying; Hu, Longqin | Bioorganic & Medicinal Chemistry | ||
